SCHEMBL7760052

SCHEMBL7760052

O=C(O)Oc1ccc2nc3cccc(OC(=O)O)c3nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 6/20 0.57
ALDH1A1 P00352 4/20 0.57
POLB P06746 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
THRB P10828 2/20 0.57
BLM P54132 2/20 0.57
CASP6 P55212 1/20 0.57
NQO2 P16083 8/20 0.47
NPC1 O15118 6/20 0.43
LMNA P02545 3/20 0.43
G6PD P11413 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.41
ACHE P22303 1/20 0.37
GAA P10253 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL317958 0.86 NQO2 (0.58) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL5265016 0.85 KMT2A (0.56) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL7760476 0.83 KMT2A (0.47) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL11264113 0.75 NQO2 (0.40) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL28567770 0.75 NQO2 (0.61) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL6213177 0.75 NQO2 (0.59) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL11084120 0.75 ALDH1A1 (0.39) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL18113724 0.74 ALDH1A1 (0.49) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL9812280 0.73 TDP1 (0.39) RAB9AKMT2AMAPTMEN1ALDH1A1
SCHEMBL10692489 0.73 KMT2A (0.38) RAB9AKMT2AMAPTMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891182-B1 ENZYME ASSISTED DYEING OF KERATINOUS FIBRES NOVOZYMES AS (DK) 2001-11-14 EP claimed
EP-0863950-B1 HAIR DYEING COMPOSITION NOVOZYMES AS (DK) 2001-10-10 EP claimed
EP-0865465-B1 LACCASES WITH IMPROVED DYEING PROPERTIES NOVOZYMES AS (DK) 2001-05-30 EP claimed